(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

C20H23F3N4O3 — CID 67775692

IUPAC(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESC[C@]1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1C[C@H](O)c1ccccc1
InChIInChI=1S/C20H23F3N4O3/c1-19(20(21,22)23)13-26-17(29)11-16(25-7-9-30-10-8-25)24-18(26)27(19)12-15(28)14-5-3-2-4-6-14/h2-6,11,15,28H,7-10,12-13H2,1H3/t15-,19+/m0/s1
InChIKeyLVKLQDVLOJRIFU-HNAYVOBHSA-N
MW424.42 g/mol
LogP1.95
Rot. Bonds4

About (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 67775692) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID67775692
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESC[C@]1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1C[C@H](O)c1ccccc1
InChIInChI=1S/C20H23F3N4O3/c1-19(20(21,22)23)13-26-17(29)11-16(25-7-9-30-10-8-25)24-18(26)27(19)12-15(28)14-5-3-2-4-6-14/h2-6,11,15,28H,7-10,12-13H2,1H3/t15-,19+/m0/s1
InChIKeyLVKLQDVLOJRIFU-HNAYVOBHSA-N
XLogP1.95
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one with MolForge

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Related Compounds

(2S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67777177
1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775780
2-methyl-7-morpholin-4-yl-1-(2-phenylethyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775104
(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 50899803
2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775684
9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 75306164
2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123788091
(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 118091536
9-[2-(4-chloro-2-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 75306194
1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 118091622
2-(3,3-dimethylmorpholin-4-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091593
2-methyl-1-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 126962583

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 67775692) is (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is C[C@]1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1C[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is LVKLQDVLOJRIFU-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-19(20(21,22)23)13-26-17(29)11-16(25-7-9-30-10-8-25)24-18(26)27(19)12-15(28)14-5-3-2-4-6-14/h2-6,11,15,28H,7-10,12-13H2,1H3/t15-,19+/m0/s1.
What are the key properties of (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 424.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 67775692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).